methyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-methyl-quinoline-6-carboxylate

Systemtic Name: methyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-methyl-quinoline-6-carboxylate Openeye Name: methyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-methyl-quinoline-6-carboxylate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-2-methyl-6-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-methylquinoline-6-carboxylate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-2-methyl-quinoline-6-carboxylic acid methyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC)C(=C1)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC)C(=C1)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17N3O3S2/c1-12-9-17(14-10-13(20(26)27-2)7-8-15(14)22-12)23-19(25)11-28-21-24-16-5-3-4-6-18(16)29-21/h3-10H,11H2,1-2H3,(H,22,23,25)